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	hartrees
Energy at 0K	-589.786537
Energy at 298.15K
HF Energy	-589.786537
Nuclear repulsion energy	186.354206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2280	2268	63.80	72.46	0.15	0.26
2	A₁	819	814	59.01	6.50	0.00	0.00
3	A₁	404	402	50.48	0.74	0.65	0.79
4	E	981	976	192.30	0.42	0.75	0.86
4	E	981	976	192.33	0.42	0.75	0.86
5	E	810	805	17.68	6.17	0.75	0.86
5	E	810	805	17.68	6.17	0.75	0.86
6	E	291	289	8.94	0.45	0.75	0.86
6	E	291	289	8.95	0.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.323
H2	0.000	0.000	1.793
F3	0.000	1.490	-0.234
F4	1.290	-0.745	-0.234
F5	-1.290	-0.745	-0.234

	Si1	H2	F3	F4	F5
Si1		1.4703	1.5901	1.5901	1.5901
H2	1.4703		2.5154	2.5154	2.5154
F3	1.5901	2.5154		2.5799	2.5799
F4	1.5901	2.5154	2.5799		2.5799
F5	1.5901	2.5154	2.5799	2.5799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	Si1	F3	110.492	H2	Si1	F4	110.492
H2	Si1	F5	110.492	F3	Si1	F4	108.431
F3	Si1	F5	108.431	F4	Si1	F5	108.431

All results from a given calculation for SiHF₃ (trifluorosilane)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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HF vs MP2 Bad vib. Calc. vs exp. 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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Si	0.338
2	H	0.009
3	F	-0.116
4	F	-0.116
5	F	-0.116

	x	y	z	Total
	0.000	0.000	1.065	1.065
CHELPG
AIM
ESP

<r²>	83.289
(<r²>)^1/2	9.126

All results from a given calculation for SiHF3 (trifluorosilane)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for SiHF₃ (trifluorosilane)